Glycoside
...
GD039610

Name:
(2r)-3-{[(s)-{[(2r,3r,4r,5s,6s)-3-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2s,3r,4r,5s,6r)-3-(acetylamino)-5-{[(2r,3r,4s,5r,6s)-6-carbamoyl-3,4,5-trihydroxytetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]oxy}-4-hydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}methyl)tetrahydro-2h-pyran-2-yl]oxy}-6-carbamoyl-4-(carbamoyloxy)-5-hydroxy-5-methyltetrahydro-2h-pyran-2-yl]oxy}(hydroxy)phosphoryl]oxy}-2-{[(2z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}propanoic acid

Formula:
C49H80O32N5P

Smiles:
CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O[P@](=O)(O)OC[C@@H](OCC=C(C)CCC=C(C)C)C(=O)O)O[C@H](C(N)=O)[C@@](C)(O)[C@@H]2OC(N)=O)O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](C)[C@@H](O[C@H]3O[C@H](C(N)=O)[C@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2NC(C)=O)[C@@H]1O

Aglycone:
CC(C)=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O

Sugarmoiety:
CC(=O)NC1C(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(O)OC(C(N)=O)C(C)(O)C3OC(N)=O)C(NC(C)=O)C2O)OC(C)C(OC2OC(C(N)=O)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 5
HBD: 20 FractionCSP3: 0.8
AlogP: -7.83 Num_rotatable_bonds: 27
MolWt: 1282.16 Num_heavy_atoms: 87
TPSA: 584.36 NumAromaticRings: 0

Unique Aglycone
AD24473
Formula: C13H23O7P

Smiles:
CC(C)=CCCC(C)=CCOC(COP(=O)(O)O)C(=O)O
HBA: 7 RingCount: 0
HBD: 3 FractionCSP3: 0.62
AlogP: 2.26 Num_rotatable_bonds: 10
MolWt: 322.29 Num_heavy_atoms: 21
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00557

CC(=O)NC1C(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3C(O)OC(C(N)=O)C(C)(O)C3OC(N)=O)C(NC(C)=O)C2O)OC(C)C(OC2OC(C(N)=O)C(O)C(O)C2O)C1O